(E)-1-ethylsulfonylbut-1-ene

C6H12O2S — CID 5364383

IUPAC(E)-1-ethylsulfonylbut-1-ene
SMILESCC/C=C/S(=O)(=O)CC
InChIInChI=1S/C6H12O2S/c1-3-5-6-9(7,8)4-2/h5-6H,3-4H2,1-2H3/b6-5+
InChIKeyUASHFUIDGBMTEB-AATRIKPKSA-N
MW148.23 g/mol
LogP1.34
Rot. Bonds3

About (E)-1-ethylsulfonylbut-1-ene

(E)-1-ethylsulfonylbut-1-ene (PubChem CID 5364383) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is (E)-1-ethylsulfonylbut-1-ene.

Molecular Properties

Compound Name(E)-1-ethylsulfonylbut-1-ene
PubChem CID5364383
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name(E)-1-ethylsulfonylbut-1-ene
SMILESCC/C=C/S(=O)(=O)CC
InChIInChI=1S/C6H12O2S/c1-3-5-6-9(7,8)4-2/h5-6H,3-4H2,1-2H3/b6-5+
InChIKeyUASHFUIDGBMTEB-AATRIKPKSA-N
XLogP1.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-1-ethylsulfonylbut-1-ene?
The IUPAC name of (E)-1-ethylsulfonylbut-1-ene (CID 5364383) is (E)-1-ethylsulfonylbut-1-ene.
What is the SMILES notation for (E)-1-ethylsulfonylbut-1-ene?
The canonical SMILES for (E)-1-ethylsulfonylbut-1-ene is CC/C=C/S(=O)(=O)CC.
What is the InChIKey of (E)-1-ethylsulfonylbut-1-ene?
The InChIKey is UASHFUIDGBMTEB-AATRIKPKSA-N. The full InChI is InChI=1S/C6H12O2S/c1-3-5-6-9(7,8)4-2/h5-6H,3-4H2,1-2H3/b6-5+.
What are the key properties of (E)-1-ethylsulfonylbut-1-ene?
(E)-1-ethylsulfonylbut-1-ene has a molecular weight of 148.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethylsulfonylbut-1-ene is sourced from PubChem (CID 5364383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).